Geometry & MOs

Info

ID:	363159
PubChem CID:	127310192
Reduced:	ClO2N4C19H21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	392.080681
ΔH_f, kcal/mol:	-10.81
Dipole, Da:	4.49
IP(EA), eV:	-8.7(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,5-dichloro-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=CC=CC=C4N3C)Cl

DOS

IR

Vibrations