Geometry & MOs

Info

ID:	346486
PubChem CID:	127270990
Reduced:	ON5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	10.11
Dipole, Da:	4.87
IP(EA), eV:	-8.83(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-1-(4-methylphenyl)triazol-4-yl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(N=N2)CC(=O)N3CCCC3CN4CCCC4)C

DOS

IR

Vibrations