Geometry & MOs

Info

ID:	346545
PubChem CID:	127271049
Reduced:	BrN3O4H14C15 (1)
Stoich.:	AB3C4D14E15 (1)
Weight, g/mol:	382.225643
ΔH_f, kcal/mol:	-126.55
Dipole, Da:	4.85
IP(EA), eV:	-9.44(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CN1CC(CC1=O)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)Br

DOS

IR

Vibrations