Geometry & MOs

Info

ID:	1759
PubChem CID:	5005
Reduced:	N2O5C25H30 (1)
Stoich.:	A2B5C25D30 (1)
Weight, g/mol:	438.215472
ΔH_f, kcal/mol:	-185.33
Dipole, Da:	7.76
IP(EA), eV:	-9.63(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O

DOS

IR

Vibrations