Geometry & MOs

Info

ID:	431544
PubChem CID:	135171632
Reduced:	PN5O7C25H44 (1)
Stoich.:	AB5C7D25E44 (1)
Weight, g/mol:	376.236208
ΔH_f, kcal/mol:	-366.89
Dipole, Da:	4.24
IP(EA), eV:	-8.56(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=CN=C1N(C[C@@H](C)OCP(=O)(NC(C)(C)C(=O)OC(C)C)O[C@@H](C)CC(=O)OC(C)C)C=C)N

DOS

IR

Vibrations