Geometry & MOs

Info

ID:	327102
PubChem CID:	126689002
Reduced:	NOC12H17 (2)
Stoich.:	ABC12D17 (2)
Weight, g/mol:	380.246378
ΔH_f, kcal/mol:	-115.92
Dipole, Da:	6.37
IP(EA), eV:	-8.42(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-bis(1-adamantyl)imidazole-1-carboxylic acid

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)N4C=CN(C4C(=O)O)C56CC7CC(C5)CC(C7)C6

DOS

IR

Vibrations