Geometry & MOs

Info

ID:	129189
PubChem CID:	51071898
Reduced:	N3O3C22H31 (1)
Stoich.:	A3B3C22D31 (1)
Weight, g/mol:	379.166269
ΔH_f, kcal/mol:	-140.62
Dipole, Da:	4.53
IP(EA), eV:	-9.22(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2-benzamidoethyl)-1-(3-chloro-2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)CCC(=O)N2CCC[C@H]2C(=O)NCCNC(=O)C3=CC=CC=C3

DOS

IR

Vibrations