Geometry & MOs

Info

ID:	225253
PubChem CID:	85752922
Reduced:	BrN2H13C19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	323.173273
ΔH_f, kcal/mol:	100.22
Dipole, Da:	4.44
IP(EA), eV:	-8.95(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-amino-2-octoxycarbonyloxybenzoate

Drug info:

PubChemData

Smile

C1=CC2=C(C3=C(C=C2)C=CC(=N3)C4=CC=C(C=C4)CBr)N=C1

DOS

IR

Vibrations