Geometry & MOs

Info

ID:	431609
PubChem CID:	135171697
Reduced:	ClO3N4C13H17 (1)
Stoich.:	AB3C4D13E17 (1)
Weight, g/mol:	362.220557
ΔH_f, kcal/mol:	-38.2
Dipole, Da:	4.25
IP(EA), eV:	-9.67(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=NN(C(C1C=C)N(C)C(=NC=C)Cl)CC(=O)O

DOS

IR

Vibrations