Geometry & MOs

Info

ID:	370261
PubChem CID:	127337928
Reduced:	O2N5C20H25 (1)
Stoich.:	A2B5C20D25 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-33.88
Dipole, Da:	6.91
IP(EA), eV:	-8.44(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxyphenyl)-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)NC3C(CC4=CC=CC=C34)O

DOS

IR

Vibrations