Geometry & MOs

Info

ID:	165913
PubChem CID:	74613207
Reduced:	N4O4C11H21 (1)
Stoich.:	A4B4C11D21 (1)
Weight, g/mol:	417.198974
ΔH_f, kcal/mol:	-174.76
Dipole, Da:	3.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756675
Charge, e:	1

Chem-info

IUPAC name:

3-[4-(difluoromethoxy)phenyl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOC(=O)N1CC[NH+](CC1)C(C)C(=O)NC(=O)N

DOS

IR

Vibrations