Geometry & MOs

Info

ID:	138007
PubChem CID:	52299175
Reduced:	N2O2C20H31 (1)
Stoich.:	A2B2C20D31 (1)
Weight, g/mol:	330.230728
ΔH_f, kcal/mol:	-54.24
Dipole, Da:	2.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.000966
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC(=C[C@H]1[C@H](C1(C)C)C(=O)NC[C@@H](C2=CC=CO2)[NH+]3CCCC3)C

DOS

IR

Vibrations