Geometry & MOs

Info

ID:	331895
PubChem CID:	127250181
Reduced:	ClON4C22H25 (1)
Stoich.:	ABC4D22E25 (1)
Weight, g/mol:	422.231791
ΔH_f, kcal/mol:	32.85
Dipole, Da:	2.75
IP(EA), eV:	-8.7(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(2,5-dimethoxyphenyl)methyl]pyridin-2-yl]-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CN2CCOC(C2)C3=NC=C(C=C3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations