Geometry & MOs

Info

ID:

49295

PubChem CID:

11532673

Reduced:

O4C29H46 (1)

Stoich.:

A4B29C46 (1)

Weight, g/mol:

458.16333

ΔHf, kcal/mol:

-257.24

Dipole, Da:

4.7

IP(EA), eV:

 -10.2(0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl-methylamino]-1-methylazetidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C[C@@H]1[C@H]2[C@H]3CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)[C@@H](O1)OC2=O)C(C)C

DOS

IR

Vibrations