Geometry & MOs

Info

ID:	366393
PubChem CID:	127319874
Reduced:	O3N6C18H28 (1)
Stoich.:	A3B6C18D28 (1)
Weight, g/mol:	346.182733
ΔH_f, kcal/mol:	-114.71
Dipole, Da:	6.04
IP(EA), eV:	-9.03(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NCC3=CN=C(N3C)N(C)C

DOS

IR

Vibrations