Geometry & MOs

Info

ID:	74192
PubChem CID:	48421569
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	369.109149
ΔH_f, kcal/mol:	-81.47
Dipole, Da:	6.05
IP(EA), eV:	-8.45(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(2-chloro-4-nitrophenyl)carbamoyl-(cyclopropylmethyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(CC1CC1)C(=O)NC2=CC=CC3=C2C=CN=C3

DOS

IR

Vibrations