Geometry & MOs

Info

ID:	350008
PubChem CID:	127276881
Reduced:	N3O3C18H29 (1)
Stoich.:	A3B3C18D29 (1)
Weight, g/mol:	335.163377
ΔH_f, kcal/mol:	-151.22
Dipole, Da:	3.62
IP(EA), eV:	-8.64(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1CCCN(CC1)C(=O)CN2C(=O)C3CCCCC3C2=O

DOS

IR

Vibrations