Geometry & MOs

Info

ID:	368378
PubChem CID:	127328266
Reduced:	ON2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	-23.23
Dipole, Da:	4.59
IP(EA), eV:	-9.69(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzoyl-N-(6-cyclopropylpyridazin-3-yl)-2-methylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1(CCCN1C(=O)C2=CC=CC=C2)C(=O)N3CCC4=CN=CN=C4C3

DOS

IR

Vibrations