Geometry & MOs

Info

ID:	350050
PubChem CID:	127276923
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	361.171417
ΔH_f, kcal/mol:	-55.48
Dipole, Da:	3.04
IP(EA), eV:	-8.38(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-(2,6-difluorophenyl)methanone

Drug info:

PubChemData

Smile

CC1=C2CCCN(C2=C(C=C1)OC)CC3=NOC(=N3)C4CCOCC4

DOS

IR

Vibrations