Geometry & MOs

Info

ID:	245393
PubChem CID:	99444247
Reduced:	FO2N3C25H28 (1)
Stoich.:	AB2C3D25E28 (1)
Weight, g/mol:	426.288243
ΔH_f, kcal/mol:	-100.12
Dipole, Da:	4.53
IP(EA), eV:	-8.55(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3-methyl-1-oxo-1-[(4-propan-2-yloxyphenyl)methylamino]butan-2-yl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)C1CCN(CC1)C(=O)CCC2=C(NC3=C2C=C(C=C3)F)C4=CC=CC=C4

DOS

IR

Vibrations