Geometry & MOs

Info

ID:	40071
PubChem CID:	8143523
Reduced:	SN5C12H15 (1)
Stoich.:	AB5C12D15 (1)
Weight, g/mol:	330.173213
ΔH_f, kcal/mol:	107.51
Dipole, Da:	2.29
IP(EA), eV:	-8.74(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-2-phenyl-N-[(E)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)CN2C(=S)N(N=N2)C3=CC=CC=C3

DOS

IR

Vibrations