Geometry & MOs

Info

ID:	75271
PubChem CID:	48423262
Reduced:	N2O3C21H32 (1)
Stoich.:	A2B3C21D32 (1)
Weight, g/mol:	322.171499
ΔH_f, kcal/mol:	-118.6
Dipole, Da:	8.52
IP(EA), eV:	-9.36(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)C1=CC=C(C=C1)CNC(=O)C(C)OCC2CC2

DOS

IR

Vibrations