Geometry & MOs

Info

ID:	75613
PubChem CID:	48423739
Reduced:	N3O4C19H29 (1)
Stoich.:	A3B4C19D29 (1)
Weight, g/mol:	284.209993
ΔH_f, kcal/mol:	-153.36
Dipole, Da:	3.61
IP(EA), eV:	-9.21(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCN1CCCN(CC1)C(=O)C(CC2=CC=CC=C2)NC(=O)OC

DOS

IR

Vibrations