Geometry & MOs

Info

ID:	309246
PubChem CID:	126540968
Reduced:	SO4N6C23H30 (1)
Stoich.:	AB4C6D23E30 (1)
Weight, g/mol:	213.24565
ΔH_f, kcal/mol:	-103.65
Dipole, Da:	4.11
IP(EA), eV:	-8.68(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-4-ethyl-5,5-dimethylhexan-1-amine

Drug info:

PubChemData

Smile

CC(C)N(CCCN1C2=NC=NC(=C2N=C1SC3=CC4=C(C=C3)OCO4)N)C(=O)OC(C)(C)C

DOS

IR

Vibrations