Geometry & MOs

Info

ID:	271890
PubChem CID:	103696147
Reduced:	N3O4C16H27 (1)
Stoich.:	A3B4C16D27 (1)
Weight, g/mol:	263.126991
ΔH_f, kcal/mol:	-223.03
Dipole, Da:	3.49
IP(EA), eV:	-9.79(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-hydroxy-4-methylpentan-3-yl)amino]-3-nitrobenzonitrile

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1CCCC1NC2CCC(=O)NC2=O

DOS

IR

Vibrations