Geometry & MOs

Info

ID:	200706
PubChem CID:	79430691
Reduced:	NSC19H27 (1)
Stoich.:	ABC19D27 (1)
Weight, g/mol:	289.240565
ΔH_f, kcal/mol:	11.76
Dipole, Da:	2.23
IP(EA), eV:	-8.78(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CCC2=CSC=C2)CNCC(C)C

DOS

IR

Vibrations