Geometry & MOs

Info

ID:	346487
PubChem CID:	127270991
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	373.166938
ΔH_f, kcal/mol:	15.24
Dipole, Da:	4.8
IP(EA), eV:	-8.66(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-chlorophenyl)-5-methyltriazol-4-yl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations