Geometry & MOs

Info

ID:	263666
PubChem CID:	103387922
Reduced:	N3O3C16H25 (1)
Stoich.:	A3B3C16D25 (1)
Weight, g/mol:	275.199762
ΔH_f, kcal/mol:	-144.1
Dipole, Da:	4.4
IP(EA), eV:	-9.37(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(5-amino-1-methoxypentan-2-yl)amino]phenyl]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC(CNC(=O)OC(C)(C)C)NCC1=CC(=CC=C1)C(=O)N

DOS

IR

Vibrations