Geometry & MOs

Info

ID:	371544
PubChem CID:	127347073
Reduced:	O2N4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	357.208613
ΔH_f, kcal/mol:	-97.9
Dipole, Da:	5.41
IP(EA), eV:	-8.39(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)NC(=O)C(C)N2CCC(C2)CN3CCCC3)C

DOS

IR

Vibrations