Geometry & MOs

Info

ID:	330483
PubChem CID:	127247890
Reduced:	O3N4C13H20 (1)
Stoich.:	A3B4C13D20 (1)
Weight, g/mol:	281.119798
ΔH_f, kcal/mol:	-65.31
Dipole, Da:	5.63
IP(EA), eV:	-8.76(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,1-dimethyl-4-(thiophene-3-carbonyl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)N2CCN(CC(C2)C(=O)NC)C

DOS

IR

Vibrations