Geometry & MOs

Info

ID:	74191
PubChem CID:	48421568
Reduced:	O3N4C15H24 (1)
Stoich.:	A3B4C15D24 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-92.48
Dipole, Da:	3.28
IP(EA), eV:	-8.52(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropylmethyl(isoquinolin-5-ylcarbamoyl)amino]propanoate

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)NC(=O)N(CCC(=O)OCC)CC2CC2

DOS

IR

Vibrations