Geometry & MOs

Info

ID:	154598
PubChem CID:	56314068
Reduced:	OSN2C22H24 (1)
Stoich.:	ABC2D22E24 (1)
Weight, g/mol:	389.13543
ΔH_f, kcal/mol:	7.73
Dipole, Da:	5.22
IP(EA), eV:	-9.17(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-(3-phenylbutyl)adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=CS2)CC(=O)NCCC(C)C3=CC=CC=C3

DOS

IR

Vibrations