Geometry & MOs

Info

ID:

46718

PubChem CID:

10526637

Reduced:

O2C14H15 (2)

Stoich.:

A2B14C15 (2)

Weight, g/mol:

430.24811

ΔHf, kcal/mol:

-50.39

Dipole, Da:

2.42

IP(EA), eV:

 -8.11(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-methoxy-N'-propan-2-yl-4-[2-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]pyrimidin-4-yl]benzenecarboximidamide

Drug info:

PubChemData

Smile

COC1=C2[C@@H]3C[C@H](C2=C(C4=CC=CC=C41)OC)[C@@H]5[C@H]3[C@@]6([C@]5([C@@H]7[C@H]6[C@@H]8C[C@H]7C=C8)CO)CO

DOS

IR

Vibrations