Geometry & MOs

Info

ID:	141286
PubChem CID:	52854506
Reduced:	N2O4C22H29 (1)
Stoich.:	A2B4C22D29 (1)
Weight, g/mol:	384.204907
ΔH_f, kcal/mol:	-94.74
Dipole, Da:	1.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.995479
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-4-prop-2-enoxybenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)[C@H](CNC(=O)C2=CC(=C(C=C2)OCC=C)OC)[NH+]3CCCC3

DOS

IR

Vibrations