Geometry & MOs

Info

ID:	84776
PubChem CID:	49869808
Reduced:	O2N7H27C30 (1)
Stoich.:	A2B7C27D30 (1)
Weight, g/mol:	447.180758
ΔH_f, kcal/mol:	108.72
Dipole, Da:	8.92
IP(EA), eV:	-9.23(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-cyclopropylimidazol-1-yl)-N-[3-(4-phenyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(COC1=CN=CC=C1)N2C=NN=C2C3=CC(=CC=C3)NC(=O)C4=NC=CC(=C4)C5=CN=C(C=C5)C6CC6

DOS

IR

Vibrations