Geometry & MOs

Info

ID:	146251
PubChem CID:	53659385
Reduced:	Cl2N5H21C26 (1)
Stoich.:	A2B5C21D26 (1)
Weight, g/mol:	276.95052
ΔH_f, kcal/mol:	193.04
Dipole, Da:	6.61
IP(EA), eV:	-7.62(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(bromomethyl)-3-chlorophenyl]-methylcarbamic acid

Drug info:

PubChemData

Smile

CN1CC=CC(=C1)C2=C3C=CC(=N3)C=C4C=CC(=CC5=NC(C=C5)(C(C6=CC=C2N6)Cl)Cl)N4

DOS

IR

Vibrations