Geometry & MOs

Info

ID:	203431
PubChem CID:	79829963
Reduced:	ClNOC16H26 (1)
Stoich.:	ABCD16E26 (1)
Weight, g/mol:	261.209264
ΔH_f, kcal/mol:	-63.76
Dipole, Da:	3.15
IP(EA), eV:	-8.89(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-N-propan-2-ylbutan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C)C(C)(C)CCNCCOC

DOS

IR

Vibrations