Geometry & MOs

Info

ID:	322513
PubChem CID:	126670319
Reduced:	SN2C7H12 (1)
Stoich.:	AB2C7D12 (1)
Weight, g/mol:	322.168128
ΔH_f, kcal/mol:	14.35
Dipole, Da:	3.43
IP(EA), eV:	-8.35(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,4-dimethyl-2-[[(2E)-2-[(4-nitrophenyl)methylidene]cyclobutyl]methyl]aniline

Drug info:

PubChemData

Smile

CC1=C(C(=NS1)C(C)C)N

DOS

IR

Vibrations