Geometry & MOs

Info

ID:	74590
PubChem CID:	48422135
Reduced:	NOC6H11 (3)
Stoich.:	ABC6D11 (3)
Weight, g/mol:	404.242356
ΔH_f, kcal/mol:	-129.43
Dipole, Da:	0.89
IP(EA), eV:	-9.08(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-oxo-1-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-diazepan-1-yl]-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CN1CCCN(CC1)C(=O)C(C)OCC2CC2

DOS

IR

Vibrations