Geometry & MOs

Info

ID:	73840
PubChem CID:	48420666
Reduced:	N2O3H22C24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	387.158292
ΔH_f, kcal/mol:	-51.73
Dipole, Da:	6.04
IP(EA), eV:	-9.02(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] 4-(cyclopropylcarbamoylamino)benzoate

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=C1C=CC(=C2)C(=O)OC(C3=CC=CC=C3)C4=CC=NC=C4

DOS

IR

Vibrations