Geometry & MOs

Info

ID:	69270
PubChem CID:	46530555
Reduced:	N4O4C19H20 (1)
Stoich.:	A4B4C19D20 (1)
Weight, g/mol:	443.09076
ΔH_f, kcal/mol:	-123.8
Dipole, Da:	2.54
IP(EA), eV:	-8.81(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-1-adamantyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide

Drug info:

PubChemData

Smile

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NC3=CC(=CC=C3)NC(=O)N

DOS

IR

Vibrations