Geometry & MOs

Info

ID:	331935
PubChem CID:	127250221
Reduced:	ON2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	410.187339
ΔH_f, kcal/mol:	-2.65
Dipole, Da:	2.73
IP(EA), eV:	-8.57(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(2-chlorophenyl)methyl]pyridin-2-yl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)CN2CCOC(C2)C3=NC=C(C=C3)CC4=CC=C(C=C4)OC

DOS

IR

Vibrations