Geometry & MOs

Info

ID:	173577
PubChem CID:	75656298
Reduced:	N2O3C21H29 (1)
Stoich.:	A2B3C21D29 (1)
Weight, g/mol:	356.186183
ΔH_f, kcal/mol:	-67.13
Dipole, Da:	2.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.049770
Charge, e:	-1

Chem-info

IUPAC name:

2-[[2-(1-adamantyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoate

Drug info:

PubChemData

Smile

C[NH+](C)C(CNC(=O)CCC1=CC=C(C=C1)OC)C2=CC(=CC=C2)OC

DOS

IR

Vibrations