Geometry & MOs

Info

ID:	369567
PubChem CID:	127334622
Reduced:	O2N5C22H27 (1)
Stoich.:	A2B5C22D27 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-23.45
Dipole, Da:	5.55
IP(EA), eV:	-8.68(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxy-4-methylphenyl)-N-(1-pyridazin-3-ylpiperidin-3-yl)cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CC1(CCCN1C(=O)C2=CC=CC=C2)C(=O)NC3CCCN(C3)C4=NN=CC=C4

DOS

IR

Vibrations