Geometry & MOs

Info

ID:	76150
PubChem CID:	48424508
Reduced:	N3O4C21H31 (1)
Stoich.:	A3B4C21D31 (1)
Weight, g/mol:	296.209993
ΔH_f, kcal/mol:	-177.03
Dipole, Da:	6.79
IP(EA), eV:	-9.56(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(cyclopropylmethoxy)propanoyl]-1,4-diazepan-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC(C)CCC(=O)N1CCN(CC1)C(=O)C(CC2=CC=CC=C2)NC(=O)OC

DOS

IR

Vibrations