Geometry & MOs

Info

ID:	377239
PubChem CID:	134223283
Reduced:	NC14H19 (1)
Stoich.:	AB14C19 (1)
Weight, g/mol:	637.226646
ΔH_f, kcal/mol:	48.14
Dipole, Da:	2.35
IP(EA), eV:	-7.92(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,15-diazaheptacyclo[20.3.1.02,7.08,25.09,14.015,24.018,23]hexacosa-1(26),2,4,6,9,11,13,16,18(23),19,21,24-dodecaene

Drug info:

PubChemData

Smile

CC(=C)C1(C=CC=C(C=C1)NC(=C)C)C

DOS

IR

Vibrations