Geometry & MOs

Info

ID:	38571
PubChem CID:	8137101
Reduced:	FN2O4H15C18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	347.220892
ΔH_f, kcal/mol:	-120.8
Dipole, Da:	4.67
IP(EA), eV:	-9.4(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-adamantyl)-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-oxoethyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)O[C@@H](C)C2=NN=C(O2)C3=CC=C(C=C3)F)O

DOS

IR

Vibrations