Geometry & MOs

Info

ID:	263137
PubChem CID:	103341596
Reduced:	N3C13H17 (1)
Stoich.:	A3B13C17 (1)
Weight, g/mol:	214.146999
ΔH_f, kcal/mol:	42.68
Dipole, Da:	3.45
IP(EA), eV:	-8.78(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-methyl-4-(1H-pyrrol-2-yl)phenyl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC(C)NCC1=CC(=CN=C1)C2=CC=CN2

DOS

IR

Vibrations