Geometry & MOs

Info

ID:	443032
PubChem CID:	135257478
Reduced:	N7H57C73 (1)
Stoich.:	A7B57C73 (1)
Weight, g/mol:	312.112344
ΔH_f, kcal/mol:	325.3
Dipole, Da:	4.53
IP(EA), eV:	-7.8(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-4-[3-(1,3,5-triazin-2-yl)phenyl]-1,3,5-triazine

Drug info:

Smile

C1C(NC(NC1C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC(=CC=C4)N5C6=C(C7=CC=CC=C75)C8=C(C=C6)N(C9=CC=CC=C98)C1=CC=CC(=C1)C1=CC=C(C=C1)C1NC(N=C(N1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations