Geometry & MOs

Info

ID:	346702
PubChem CID:	127271206
Reduced:	ClO2N4C20H25 (1)
Stoich.:	AB2C4D20E25 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-22.71
Dipole, Da:	6.32
IP(EA), eV:	-9.31(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CN2CCCC(C2)C3=NC(=NO3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations