Geometry & MOs

Info

ID:	80539
PubChem CID:	49835040
Reduced:	N3O3C20H21 (1)
Stoich.:	A3B3C20D21 (1)
Weight, g/mol:	365.173942
ΔH_f, kcal/mol:	-14.78
Dipole, Da:	4.19
IP(EA), eV:	-8.25(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(4-methylindol-1-yl)propanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=N/NC(=O)CCN2C=CC3=CC=CC=C32)OC

DOS

IR

Vibrations