Geometry & MOs

Info

ID:	323882
PubChem CID:	126676429
Reduced:	N7C26H35 (1)
Stoich.:	A7B26C35 (1)
Weight, g/mol:	542.22418
ΔH_f, kcal/mol:	122.86
Dipole, Da:	4.19
IP(EA), eV:	-8.22(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(1-cyanocyclopropyl)carbamoyl]-4,4-difluorocyclohexyl]-6-[3-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydronaphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CCC/C=C\1/C(=C(/CC2=CN(N=C2)CC3CCN(C3)CC4=CC=CC=C4)\C=C(/C)\N)/N=NN1

DOS

IR

Vibrations