Geometry & MOs

Info

ID:	322483
PubChem CID:	126670251
Reduced:	NS2C4H11 (1)
Stoich.:	AB2C4D11 (1)
Weight, g/mol:	348.183778
ΔH_f, kcal/mol:	-2.17
Dipole, Da:	1.73
IP(EA), eV:	-8.59(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-N-methyl-2-[[(2E)-2-[(4-nitrophenyl)methylidene]cyclobutyl]methyl]aniline

Drug info:

PubChemData

Smile

CC(C)(C)N(S)S

DOS

IR

Vibrations