Geometry & MOs

Info

ID:	332148
PubChem CID:	127250434
Reduced:	O3N4C25H30 (1)
Stoich.:	A3B4C25D30 (1)
Weight, g/mol:	422.231791
ΔH_f, kcal/mol:	-38.79
Dipole, Da:	4.53
IP(EA), eV:	-8.67(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]-2-[5-(1H-pyrazol-5-yl)pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1)CN2CCOC(C2)C3=NC=C(C=C3)C4=CN=CN=C4)COC

DOS

IR

Vibrations