Geometry & MOs

Info

ID:	166094
PubChem CID:	74637018
Reduced:	O2N5C21H31 (1)
Stoich.:	A2B5C21D31 (1)
Weight, g/mol:	387.099071
ΔH_f, kcal/mol:	-23.05
Dipole, Da:	4.6
IP(EA), eV:	-8.86(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(2,5-dichlorophenyl)-1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidin-1-ium-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)C(C)N3CCN(CC3)CC(=O)NCC(C)C

DOS

IR

Vibrations