Geometry & MOs

Info

ID:	363088
PubChem CID:	127310119
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	-95.23
Dipole, Da:	9.29
IP(EA), eV:	-8.98(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,6-dimethyl-1H-indol-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)C3=C(C4=C(N3)CC(CC4=O)(C)C)C

DOS

IR

Vibrations