Geometry & MOs

Info

ID:	363230
PubChem CID:	127310371
Reduced:	SO2N5C14H19 (1)
Stoich.:	AB2C5D14E19 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	-10.58
Dipole, Da:	5.77
IP(EA), eV:	-9.02(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)NCC3=NC=CS3

DOS

IR

Vibrations