Geometry & MOs

Info

ID:	441728
PubChem CID:	135242083
Reduced:	O2N9H17C21 (1)
Stoich.:	A2B9C17D21 (1)
Weight, g/mol:	700.14073
ΔH_f, kcal/mol:	104.13
Dipole, Da:	4.01
IP(EA), eV:	-9.45(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-cyano-6-iodophenyl)-6-[1-[[6-(1-methoxy-2-methylpropyl)pyridin-2-yl]methyl]triazol-4-yl]pyrimidin-2-yl]-2-phenoxyacetamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C2=CC(=NC(=N2)N)C3=CN(N=N3)CC4=NC(=CC=C4)NCC(=O)O)C#N

DOS

IR

Vibrations