Geometry & MOs

Info

ID:	431733
PubChem CID:	135171836
Reduced:	NC16H33 (1)
Stoich.:	AB16C33 (1)
Weight, g/mol:	391.247107
ΔH_f, kcal/mol:	-59.97
Dipole, Da:	1.06
IP(EA), eV:	-8.05(2.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-[(1-methylpiperidin-4-yl)-(2-methylpropyl)amino]-3-nitrophenyl]butanoate

Drug info:

PubChemData

Smile

CCCC(CC)N(CC(C)C)C1CCCCC1

DOS

IR

Vibrations