Geometry & MOs

Info

ID:	123491
PubChem CID:	50850380
Reduced:	N2C15H20 (1)
Stoich.:	A2B15C20 (1)
Weight, g/mol:	242.178299
ΔH_f, kcal/mol:	32.17
Dipole, Da:	4.73
IP(EA), eV:	-8.6(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(4-methylphenyl)pyrrol-2-yl]methyl]butan-1-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C=CC=C2CNC(C)C

DOS

IR

Vibrations