Geometry & MOs

Info

ID:	331892
PubChem CID:	127250178
Reduced:	ClO2N3H22C26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	362.210661
ΔH_f, kcal/mol:	13.75
Dipole, Da:	2.53
IP(EA), eV:	-9.23(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=CC3=C(C=C2)N=CC=C3)C4=NC=C(C=C4)CC5=CC(=CC=C5)Cl

DOS

IR

Vibrations