Geometry & MOs

Info

ID:	346350
PubChem CID:	127270854
Reduced:	ON2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	335.163377
ΔH_f, kcal/mol:	-50.41
Dipole, Da:	7.45
IP(EA), eV:	-8.88(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)NCC3CN(CCO3)CC(C)C)NN=C2

DOS

IR

Vibrations