Geometry & MOs

Info

ID:	364976
PubChem CID:	127316626
Reduced:	N2O3C18H24 (1)
Stoich.:	A2B3C18D24 (1)
Weight, g/mol:	386.166414
ΔH_f, kcal/mol:	-108.97
Dipole, Da:	5.03
IP(EA), eV:	-9.38(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(oxan-4-yloxy)pyridin-4-yl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(CC=C1)C(=O)NCC2=CC(=NC=C2)OC3CCOCC3

DOS

IR

Vibrations