Geometry & MOs

Info

ID:	331746
PubChem CID:	127250030
Reduced:	OF3N4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	446.231791
ΔH_f, kcal/mol:	-109.16
Dipole, Da:	2.83
IP(EA), eV:	-8.9(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-yl-[2-[6-[(3-methoxyphenyl)methyl]pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCOC(C2)C3=CC=CC(=N3)CC4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations