Geometry & MOs

Info

ID:	426664
PubChem CID:	135153229
Reduced:	N4O4C25H36 (1)
Stoich.:	A4B4C25D36 (1)
Weight, g/mol:	364.199822
ΔH_f, kcal/mol:	-155.47
Dipole, Da:	8.28
IP(EA), eV:	-8.4(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-methylpropyl(oxan-4-yl)amino]-3-nitrophenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C(C)CC(=O)O)NC3=NC=C(N3)C(=O)OC

DOS

IR

Vibrations