Geometry & MOs

Info

ID:	196756
PubChem CID:	78874660
Reduced:	OCl2N4C14H16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	405.0688
ΔH_f, kcal/mol:	1.42
Dipole, Da:	2.71
IP(EA), eV:	-8.54(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethyl]-3-methoxybenzamide

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)Cl)Cl)N(C)C(=O)NC2=CN(N=C2)C

DOS

IR

Vibrations