Geometry & MOs

Info

ID:	290169
PubChem CID:	104417141
Reduced:	BrO2N3C12H18 (1)
Stoich.:	AB2C3D12E18 (1)
Weight, g/mol:	262.142976
ΔH_f, kcal/mol:	-66.3
Dipole, Da:	1.38
IP(EA), eV:	-8.68(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-amino-3-cyanoanilino)-N-(2-methoxyethyl)propanamide

Drug info:

PubChemData

Smile

COCCNC(=O)CCNC1=C(C=CC(=C1)Br)N

DOS

IR

Vibrations