Geometry & MOs

Info

ID:	363143
PubChem CID:	127310176
Reduced:	ON3C10H12 (2)
Stoich.:	AB3C10D12 (2)
Weight, g/mol:	369.172228
ΔH_f, kcal/mol:	19.48
Dipole, Da:	2.18
IP(EA), eV:	-9.14(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopentylsulfonyl-1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NC=C(C=C2)C(=O)N3CCOC(C3)CN4C=C(C=N4)C)C

DOS

IR

Vibrations