Geometry & MOs

Info

ID:	330183
PubChem CID:	127247170
Reduced:	ON5C17H19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	310.154209
ΔH_f, kcal/mol:	36.35
Dipole, Da:	5.93
IP(EA), eV:	-9.1(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-1-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC2=NC(=CN12)C(=O)N3CCC(C3)C4=C(C=NN4)C

DOS

IR

Vibrations