Geometry & MOs

Info

ID:	362532
PubChem CID:	127308147
Reduced:	SO2N5C18H21 (1)
Stoich.:	AB2C5D18E21 (1)
Weight, g/mol:	364.05349
ΔH_f, kcal/mol:	4.42
Dipole, Da:	0.92
IP(EA), eV:	-8.77(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromophenyl)-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC

DOS

IR

Vibrations