Geometry & MOs

Info

ID:	330503
PubChem CID:	127247910
Reduced:	O2N5C17H29 (1)
Stoich.:	A2B5C17D29 (1)
Weight, g/mol:	335.166748
ΔH_f, kcal/mol:	-76.88
Dipole, Da:	4.16
IP(EA), eV:	-8.72(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,1-dimethyl-4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CCCN1C(=C(C(=N1)C)C(=O)N2CCN(CC(C2)C(=O)NC)C)C

DOS

IR

Vibrations