Geometry & MOs

Info

ID:	363103
PubChem CID:	127310134
Reduced:	O3N4C18H28 (1)
Stoich.:	A3B4C18D28 (1)
Weight, g/mol:	392.080681
ΔH_f, kcal/mol:	-115.8
Dipole, Da:	3.86
IP(EA), eV:	-9.14(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-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)C3CC(=O)N(C3)C(C)(C)C

DOS

IR

Vibrations