Geometry & MOs

Info

ID:	363131
PubChem CID:	127310164
Reduced:	SO2N5C17H23 (1)
Stoich.:	AB2C5D17E23 (1)
Weight, g/mol:	397.236542
ΔH_f, kcal/mol:	-8.24
Dipole, Da:	7.38
IP(EA), eV:	-8.98(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-methoxy-4-methylphenyl)cyclopentyl]-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)C3CCCN3C4=NC=CS4

DOS

IR

Vibrations