Geometry & MOs

Info

ID:	417917
PubChem CID:	135103067
Reduced:	ON5C19H29 (1)
Stoich.:	AB5C19D29 (1)
Weight, g/mol:	347.17461
ΔH_f, kcal/mol:	-0.01
Dipole, Da:	2.38
IP(EA), eV:	-8.91(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(C)CC(=O)N(CCN(C)C)CC2=CN=CN2

DOS

IR

Vibrations