Geometry & MOs

Info

ID:	76251
PubChem CID:	48424667
Reduced:	ClN2O3C19H25 (1)
Stoich.:	AB2C3D19E25 (1)
Weight, g/mol:	360.204907
ΔH_f, kcal/mol:	-101.11
Dipole, Da:	7.06
IP(EA), eV:	-9.4(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCN(CC1)C(=O)C2=CC=CC=C2Cl)OCC3CC3

DOS

IR

Vibrations