Geometry & MOs

Info

ID:	431621
PubChem CID:	135171717
Reduced:	N3O6C25H39 (1)
Stoich.:	A3B6C25D39 (1)
Weight, g/mol:	390.251858
ΔH_f, kcal/mol:	-217.15
Dipole, Da:	7.8
IP(EA), eV:	-9.11(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-[cyclohexyl(2-methylpropyl)amino]-3-nitrophenyl]-3-methylbutanoate

Drug info:

PubChemData

Smile

CC(C)CN(C1CCN(CC1)C(=O)OC(C)(C)C)C2=C(C=C(C=C2)C(C)CC(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations