Geometry & MOs

Info

ID:	432051
PubChem CID:	135172183
Reduced:	SO3N5C26H39 (1)
Stoich.:	AB3C5D26E39 (1)
Weight, g/mol:	377.231456
ΔH_f, kcal/mol:	-109.84
Dipole, Da:	5.56
IP(EA), eV:	-8.8(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C(C)CC(=O)O)NC3=NN=C(S3)C(=O)NC(C)C

DOS

IR

Vibrations