Geometry & MOs

Info

ID:	362349
PubChem CID:	127307415
Reduced:	O2N5C18H35 (1)
Stoich.:	A2B5C18D35 (1)
Weight, g/mol:	394.305624
ΔH_f, kcal/mol:	-112.09
Dipole, Da:	1.74
IP(EA), eV:	-8.54(1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(azepan-1-yl)-2-oxoethyl]-N-[(1,4-dimethylpiperazin-2-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1CCN(CC1)C(=O)NCC2CN(CCN2C)C

DOS

IR

Vibrations