Geometry & MOs

Info

ID:	364925
PubChem CID:	127316571
Reduced:	O2N4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	385.236542
ΔH_f, kcal/mol:	-75.67
Dipole, Da:	2.86
IP(EA), eV:	-8.57(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclobutylpiperazin-1-yl)-[1-(2-ethoxybenzoyl)pyrrolidin-2-yl]methanone

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCN(CC1)C2CCC2)NC(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations