Geometry & MOs

Info

ID:	332078
PubChem CID:	127250364
Reduced:	ClO2N5C21H22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	382.119654
ΔH_f, kcal/mol:	-0.4
Dipole, Da:	1.96
IP(EA), eV:	-9.53(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-(3-chlorophenyl)pyridin-2-yl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CC(=O)N2CCOC(C2)C3=NC=C(C=C3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations