Geometry & MOs

Info

ID:	331974
PubChem CID:	127250260
Reduced:	ON2C13H17 (2)
Stoich.:	AB2C13D17 (2)
Weight, g/mol:	438.218639
ΔH_f, kcal/mol:	-19.58
Dipole, Da:	4.57
IP(EA), eV:	-8.46(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(2-chlorophenyl)methyl]pyridin-2-yl]-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)C)CN2CCOC(C2)C3=NC=C(C=C3)CC4=CC=C(C=C4)OC

DOS

IR

Vibrations