Geometry & MOs

Info

ID:	322391
PubChem CID:	126669984
Reduced:	ClN2O2C17H17 (1)
Stoich.:	AB2C2D17E17 (1)
Weight, g/mol:	306.209599
ΔH_f, kcal/mol:	41.94
Dipole, Da:	5.69
IP(EA), eV:	-9.1(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2E)-2-[(4-aminophenyl)methylidene]cyclobutyl]methyl]-N,N,4-trimethylaniline

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)Cl)N(C)C(=C)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations