Geometry & MOs

Info

ID:	198473
PubChem CID:	79105114
Reduced:	ON2C15H16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	242.178299
ΔH_f, kcal/mol:	22.19
Dipole, Da:	6.87
IP(EA), eV:	-8.99(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine

Drug info:

PubChemData

Smile

CCC(C1=CN(C=C1)CC2=CC=CC=C2C#N)O

DOS

IR

Vibrations