Geometry & MOs

Info

ID:	166264
PubChem CID:	74658872
Reduced:	N5O5C24H34 (1)
Stoich.:	A5B5C24D34 (1)
Weight, g/mol:	324.183778
ΔH_f, kcal/mol:	-182.56
Dipole, Da:	6.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.867615
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methylfuran-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)CN1C2=NC=[N+](C2C(=O)N(C1=O)CC(COC3=CC=C(C=C3)NC(=O)C)O)CC(C)C

DOS

IR

Vibrations