Geometry & MOs

Info

ID:	26992
PubChem CID:	809708
Reduced:	NSO3C19H27 (1)
Stoich.:	ABC3D19E27 (1)
Weight, g/mol:	348.183778
ΔH_f, kcal/mol:	-139.55
Dipole, Da:	4.09
IP(EA), eV:	-9.1(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1[C@H](CS[C@@H]1C2=CC=CC=C2)C(=O)OCC(C)C

DOS

IR

Vibrations