Geometry & MOs

Info

ID:	260504
PubChem CID:	103194009
Reduced:	NO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	208.121178
ΔH_f, kcal/mol:	-90.01
Dipole, Da:	5.15
IP(EA), eV:	-8.79(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-nitrophenyl)pentan-3-amine

Drug info:

PubChemData

Smile

CCC(C)C(C1=CC(=CC=C1)N)C(=O)O

DOS

IR

Vibrations