Geometry & MOs

Info

ID:	82251
PubChem CID:	49855808
Reduced:	O2N5C28H29 (1)
Stoich.:	A2B5C28D29 (1)
Weight, g/mol:	465.216475
ΔH_f, kcal/mol:	13.41
Dipole, Da:	6.91
IP(EA), eV:	-8.41(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[but-3-ynyl-[(2,3-dimethyl-4-oxoquinazolin-6-yl)methyl]amino]-N-(pyridin-3-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C/C=C/CN(CC1=CC2=C(C=C1)N=C(N(C2=O)C)C)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4

DOS

IR

Vibrations