Geometry & MOs

Info

ID:	363174
PubChem CID:	127310213
Reduced:	OSN2C11H22 (1)
Stoich.:	ABC2D11E22 (1)
Weight, g/mol:	375.146203
ΔH_f, kcal/mol:	-65.15
Dipole, Da:	2.13
IP(EA), eV:	-8.7(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-chloro-6-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pyridin-3-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CCSC1CCCCN(C1)C(=O)N(C)C

DOS

IR

Vibrations