Geometry & MOs

Info

ID:	369840
PubChem CID:	127336434
Reduced:	N2O3C24H28 (1)
Stoich.:	A2B3C24D28 (1)
Weight, g/mol:	398.166414
ΔH_f, kcal/mol:	-105.38
Dipole, Da:	3.02
IP(EA), eV:	-9.14(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CC3CCC4=CC=CC=C4C3

DOS

IR

Vibrations