Geometry & MOs

Info

ID:	131291
PubChem CID:	51187546
Reduced:	SN3O3C18H19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	398.256943
ΔH_f, kcal/mol:	-64.87
Dipole, Da:	3.7
IP(EA), eV:	-8.94(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[1-(4-methoxyphenyl)propylamino]-3-oxopropyl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)OC)NC(=O)CN2C=NC3=C(C2=O)C=CS3

DOS

IR

Vibrations