Geometry & MOs

Info

ID:	331906
PubChem CID:	127250192
Reduced:	O3N4C25H28 (1)
Stoich.:	A3B4C25D28 (1)
Weight, g/mol:	448.211055
ΔH_f, kcal/mol:	-29.79
Dipole, Da:	5.9
IP(EA), eV:	-8.64(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[(2,5-dimethoxyphenyl)methyl]pyridin-2-yl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1CC2=CN=C(C=C2)C3CN(CCO3)C(=O)C4=NNC5=C4CCC5

DOS

IR

Vibrations