Geometry & MOs

Info

ID:	264437
PubChem CID:	103461653
Reduced:	NOC7H14 (2)
Stoich.:	ABC7D14 (2)
Weight, g/mol:	247.132077
ΔH_f, kcal/mol:	-126.16
Dipole, Da:	3.45
IP(EA), eV:	-9.21(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,2-dimethylbutylamino)-2-nitrobenzonitrile

Drug info:

PubChemData

Smile

CCCNC1COCC1C(=O)NCC(C)(C)CC

DOS

IR

Vibrations