Geometry & MOs

Info

ID:	367673
PubChem CID:	127325221
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	338.210661
ΔH_f, kcal/mol:	23.62
Dipole, Da:	4.44
IP(EA), eV:	-8.59(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(cyclohexylmethyl)pyrrolidin-1-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1CCC(N1C2CCCN(C2)C(=O)C3=CC(=CC=C3)N4C=NC=N4)C

DOS

IR

Vibrations