Geometry & MOs

Info

ID:	331894
PubChem CID:	127250180
Reduced:	ON4C23H28 (1)
Stoich.:	AB4C23D28 (1)
Weight, g/mol:	396.171689
ΔH_f, kcal/mol:	39.45
Dipole, Da:	4.49
IP(EA), eV:	-8.79(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(2-chlorophenyl)methyl]pyridin-2-yl]-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=CN=C(C=C2)C3CN(CCO3)CC4=C(N(N=C4)C)C

DOS

IR

Vibrations