Geometry & MOs

Info

ID:	431944
PubChem CID:	135172071
Reduced:	O3N4C21H36 (1)
Stoich.:	A3B4C21D36 (1)
Weight, g/mol:	388.236208
ΔH_f, kcal/mol:	-105.99
Dipole, Da:	5.47
IP(EA), eV:	-8.45(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[4-[cyclohexyl(2-methylpropyl)amino]-3-nitrophenyl]pent-2-enoate

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)C)C1=C(C=C(C=C1)C(C)CC(=O)O)NCC(=NC)NO

DOS

IR

Vibrations