Geometry & MOs

Info

ID:	69255
PubChem CID:	46530532
Reduced:	N3O4H19C22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	327.194677
ΔH_f, kcal/mol:	-74.75
Dipole, Da:	6.14
IP(EA), eV:	-8.4(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)NC1=CC=C(C=C1)NC(=O)COC2=CC3=C(C=C2)OC4=CC=CC=C43

DOS

IR

Vibrations