Geometry & MOs

Info

ID:	84902
PubChem CID:	49870612
Reduced:	ON6H22C24 (1)
Stoich.:	AB6C22D24 (1)
Weight, g/mol:	396.169859
ΔH_f, kcal/mol:	88.17
Dipole, Da:	10.3
IP(EA), eV:	-9.11(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-[(1S,2S)-2-methylcyclopropyl]-1,2,4-triazol-3-yl]phenyl]-4-pyridin-3-ylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2C=NN=C2C3=CC(=CC=C3)NC(=O)C4=NC=CC(=C4)C5=CN=CC=C5

DOS

IR

Vibrations