Geometry & MOs

Info

ID:	69228
PubChem CID:	46530481
Reduced:	FO2N5H18C19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	-55.39
Dipole, Da:	7.28
IP(EA), eV:	-8.32(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(carbamoylamino)phenyl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)C(=O)NC3=CC=C(C=C3)NC(=O)N

DOS

IR

Vibrations