Geometry & MOs

Info

ID:	22013
PubChem CID:	595003
Reduced:	O2N3C20H23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	337.179027
ΔH_f, kcal/mol:	-46.56
Dipole, Da:	3.92
IP(EA), eV:	-8.7(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-adamantyl)-1-(2-oxochromen-8-yl)guanidine

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)N=C(N)NC4=CC=CC5=C4OC(=O)C=C5

DOS

IR

Vibrations