Geometry & MOs

Info

ID:	395551
PubChem CID:	135025782
Reduced:	NO3C12H16 (2)
Stoich.:	AB3C12D16 (2)
Weight, g/mol:	375.137162
ΔH_f, kcal/mol:	-260.9
Dipole, Da:	7.33
IP(EA), eV:	-8.6(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-phenylphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=CC(=C1)C(=O)OC(C)(C)C)NC(=O)C2=C(C(=C(C=C2)N)OC(C)C)O

DOS

IR

Vibrations