Geometry & MOs

Info

ID:	57813
PubChem CID:	24277524
Reduced:	OSN2C16H20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	247.193614
ΔH_f, kcal/mol:	-19.58
Dipole, Da:	2.87
IP(EA), eV:	-8.4(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-3-methylbutan-1-amine

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)CN)C2=CC3=C(C=C2)OC(CC3)(C)C

DOS

IR

Vibrations