Geometry & MOs

Info

ID:	362619
PubChem CID:	127308887
Reduced:	BrOSN4C15H19 (1)
Stoich.:	ABCD4E15F19 (1)
Weight, g/mol:	340.076075
ΔH_f, kcal/mol:	23.16
Dipole, Da:	1.26
IP(EA), eV:	-9.1(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chlorothiophen-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)NCC3=CC=C(S3)Br

DOS

IR

Vibrations