Geometry & MOs

Info

ID:	76093
PubChem CID:	48424418
Reduced:	N2O2C15H28 (1)
Stoich.:	A2B2C15D28 (1)
Weight, g/mol:	336.150764
ΔH_f, kcal/mol:	-97.57
Dipole, Da:	3.52
IP(EA), eV:	-8.68(1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(CNC(=O)C(C)OCC1CC1)N2CCCCC2

DOS

IR

Vibrations