Geometry & MOs

Info

ID:	432987
PubChem CID:	135173124
Reduced:	OF2N8H26C30 (1)
Stoich.:	AB2C8D26E30 (1)
Weight, g/mol:	344.108026
ΔH_f, kcal/mol:	67.85
Dipole, Da:	10.11
IP(EA), eV:	-8.84(-2.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-phenyl-4-(4-phenylphenyl)-4,5-dihydropyrimidine

Drug info:

PubChemData

Smile

C1CCC(CC1)C(NC2=CN=CC(=C2)C3=NC=C4C(=C3F)/C(=C\5/N=C6C=NC=C(C6=N5)C7=CC=C(C=C7)F)/NN4)O

DOS

IR

Vibrations