Geometry & MOs

Info

ID:	76097
PubChem CID:	48424423
Reduced:	NOC9H10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	405.226371
ΔH_f, kcal/mol:	-23.0
Dipole, Da:	1.74
IP(EA), eV:	-8.97(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-(methoxycarbonylamino)-3-phenylpropanoyl]-1,4-diazepane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=NC=C(C=C1)C2=CC=CC=C2)OCC3CC3

DOS

IR

Vibrations