Geometry & MOs

Info

ID:	80564
PubChem CID:	49835150
Reduced:	O2N4H22C23 (1)
Stoich.:	A2B4C22D23 (1)
Weight, g/mol:	366.169191
ΔH_f, kcal/mol:	28.15
Dipole, Da:	2.21
IP(EA), eV:	-8.31(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(3-methylpyrrolo[2,3-b]pyridin-1-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CN(C2=CC=CC=C12)CCC(=O)N/N=C/C3=CC4=C(C=CN=C4C=C3)OC

DOS

IR

Vibrations