Geometry & MOs

Info

ID:	415825
PubChem CID:	135088826
Reduced:	N2O3C21H32 (1)
Stoich.:	A2B3C21D32 (1)
Weight, g/mol:	318.176585
ΔH_f, kcal/mol:	-134.59
Dipole, Da:	4.07
IP(EA), eV:	-8.82(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethylsulfanyl)-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C)OCC(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO)C

DOS

IR

Vibrations