Geometry & MOs

Info

ID:	160441
PubChem CID:	57309789
Reduced:	FNC28H42 (1)
Stoich.:	ABC28D42 (1)
Weight, g/mol:	417.145534
ΔH_f, kcal/mol:	-79.55
Dipole, Da:	6.09
IP(EA), eV:	-9.98(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-2-(4-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

CCCCCC1(CCCCC1)CCCCC2(CCCCC2)C3=CC(=C(C=C3)C#N)F

DOS

IR

Vibrations