Geometry & MOs

Info

ID:	130018
PubChem CID:	51074621
Reduced:	O2N3C19H31 (1)
Stoich.:	A2B3C19D31 (1)
Weight, g/mol:	305.210327
ΔH_f, kcal/mol:	-126.67
Dipole, Da:	0.57
IP(EA), eV:	-9.09(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(adamantane-1-carbonyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCCNC(=O)N1CCN(CC1)C(=O)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations