Geometry & MOs

Info

ID:	332217
PubChem CID:	127250503
Reduced:	ON2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	391.200825
ΔH_f, kcal/mol:	8.8
Dipole, Da:	2.87
IP(EA), eV:	-8.6(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]pyridin-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1CN2CCOC(C2)C3=CC=CC(=N3)C4=CC=C(C=C4)OC)C

DOS

IR

Vibrations