Geometry & MOs

Info

ID:	445967
PubChem CID:	135270097
Reduced:	N5C20H21 (1)
Stoich.:	A5B20C21 (1)
Weight, g/mol:	178.110613
ΔH_f, kcal/mol:	101.91
Dipole, Da:	2.86
IP(EA), eV:	-8.45(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-ethyl-3-(methylamino)phenyl]formamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CN=C(C(=N2)CNC3=C(C=CC=C3N=C)C)N

DOS

IR

Vibrations