Geometry & MOs

Info

ID:	364399
PubChem CID:	127315576
Reduced:	O3N7C18H29 (1)
Stoich.:	A3B7C18D29 (1)
Weight, g/mol:	378.299476
ΔH_f, kcal/mol:	-98.19
Dipole, Da:	4.04
IP(EA), eV:	-8.03(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-ethylpiperazin-1-yl)propyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(C)CNC(=O)CN2C(=O)C3=C(N=CN3C)N(C2=O)C

DOS

IR

Vibrations