Geometry & MOs

Info

ID:	434416
PubChem CID:	135174900
Reduced:	O3N4C33H56 (1)
Stoich.:	A3B4C33D56 (1)
Weight, g/mol:	275.228286
ΔH_f, kcal/mol:	-154.23
Dipole, Da:	3.64
IP(EA), eV:	-8.52(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(2,2-dimethylbutoxy)propylsulfanyl]ethyl]-2-methylpropan-2-amine

Drug info:

PubChemData

Smile

CC(CCNC(C)(C)C)OC1=CC(=NC=C1)C(C)(C)CCC(C)(C)NCCOC2=NC=C(C=C2)OCC(C)(C)C

DOS

IR

Vibrations