Geometry & MOs

Info

ID:	214020
PubChem CID:	81065819
Reduced:	NO2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	287.126991
ΔH_f, kcal/mol:	-91.34
Dipole, Da:	4.88
IP(EA), eV:	-9.38(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(isoquinolin-5-ylcarbamoylamino)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])NCC(C)CC(=O)O

DOS

IR

Vibrations