Geometry & MOs

Info

ID:	319538
PubChem CID:	126656580
Reduced:	ON2H38C58 (1)
Stoich.:	AB2C38D58 (1)
Weight, g/mol:	185.21435
ΔH_f, kcal/mol:	212.76
Dipole, Da:	2.41
IP(EA), eV:	-7.96(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-4,5-dimethylhexan-3-amine

Drug info:

PubChemData

Smile

C1CC2=C(C=C1)C3=C(C=C2)C4=C5C(=CC(=C4N3C6=CC=C(C=C6)N(C7=CC=CC=C7)C8=CC=CC=C8)C9=CC1=C(C=C9)C2=CC=CC=C2C2=CC=CC=C21)C1=CC=CC=C1O5

DOS

IR

Vibrations