Geometry & MOs

Info

ID:	332240
PubChem CID:	127250526
Reduced:	O2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	445.21139
ΔH_f, kcal/mol:	18.0
Dipole, Da:	3.76
IP(EA), eV:	-8.76(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[4-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carbonyl)morpholin-2-yl]pyridin-2-yl]benzamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCOC(C2)C3=CC=CC(=N3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations