Geometry & MOs

Info

ID:	331905
PubChem CID:	127250191
Reduced:	O2N5C26H27 (1)
Stoich.:	A2B5C26D27 (1)
Weight, g/mol:	432.216141
ΔH_f, kcal/mol:	22.35
Dipole, Da:	4.66
IP(EA), eV:	-8.82(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=CN=C(C=C2)C3CN(CCO3)C(=O)C4=C5N=C(C=C(N5N=C4)C)C

DOS

IR

Vibrations