Geometry & MOs

Info

ID:	340177
PubChem CID:	127262186
Reduced:	N3O3C16H23 (1)
Stoich.:	A3B3C16D23 (1)
Weight, g/mol:	291.158292
ΔH_f, kcal/mol:	-114.89
Dipole, Da:	5.97
IP(EA), eV:	-8.93(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylphenyl) N-[(2S)-4-(dimethylamino)pyrrolidine-2-carbonyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OC(=O)NC(=O)[C@@H]2CC(CN2)N(C)C)C

DOS

IR

Vibrations