Geometry & MOs

Info

ID:	198464
PubChem CID:	79104543
Reduced:	ON2C16H28 (1)
Stoich.:	AB2C16D28 (1)
Weight, g/mol:	268.193949
ΔH_f, kcal/mol:	-26.93
Dipole, Da:	3.95
IP(EA), eV:	-8.68(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyclopropyl-[1-(2-phenylethyl)pyrrol-3-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CCCCOCCN1C=CC(=C1)C(C2CC2)NCC

DOS

IR

Vibrations