Geometry & MOs

Info

ID:	272421
PubChem CID:	103742755
Reduced:	ON3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	264.147393
ΔH_f, kcal/mol:	-4.46
Dipole, Da:	3.4
IP(EA), eV:	-8.82(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methyl-4-nitroaniline

Drug info:

PubChemData

Smile

CC1(C(CC1OC)NC2=NC=CN=C2)C

DOS

IR

Vibrations