Geometry & MOs

Info

ID:	278758
PubChem CID:	103837772
Reduced:	ON3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	278.13789
ΔH_f, kcal/mol:	-36.36
Dipole, Da:	2.08
IP(EA), eV:	-8.25(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-nitrobenzonitrile

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)NCC(C)(CN(C)C)O

DOS

IR

Vibrations