Geometry & MOs

Info

ID:	217365
PubChem CID:	85087698
Reduced:	BrN2C19H21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	357.189986
ΔH_f, kcal/mol:	39.66
Dipole, Da:	1.16
IP(EA), eV:	-8.43(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(azepan-2-ylidene)-2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]acetate

Drug info:

PubChemData

Smile

C1CC2CC3=C(CC1C(N2)C4=CC(=CC=C4)Br)C(=CC=C3)N

DOS

IR

Vibrations