Geometry & MOs

Info

ID:	426401
PubChem CID:	135143822
Reduced:	ClO2N3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	736.320212
ΔH_f, kcal/mol:	-36.38
Dipole, Da:	1.26
IP(EA), eV:	-9.21(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-(1,9b-dihydrodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-ethyl-2-[(E)-2-(2-phenylphenyl)prop-1-enyl]indole

Drug info:

PubChemData

Smile

CN1[C@@H](N(CC1=O)C(=O)N(C)C2=CC=C(C=C2)Cl)C=C

DOS

IR

Vibrations