Geometry & MOs

Info

ID:	370299
PubChem CID:	127337976
Reduced:	O2N5C17H27 (1)
Stoich.:	A2B5C17D27 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-57.97
Dipole, Da:	4.73
IP(EA), eV:	-8.54(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-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)N(C)CC3CCCO3

DOS

IR

Vibrations