Geometry & MOs

Info

ID:	354613
PubChem CID:	127287230
Reduced:	O2N5C17H29 (1)
Stoich.:	A2B5C17D29 (1)
Weight, g/mol:	379.294725
ΔH_f, kcal/mol:	-16.59
Dipole, Da:	2.16
IP(EA), eV:	-8.85(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(azepan-1-yl)-2-oxoethyl]-N-[2-[cyclopropyl(methyl)amino]propyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CN2CCN(CC2)C(=O)NCC(C)N(C)C3CC3

DOS

IR

Vibrations