Geometry & MOs

Info

ID:	311640
PubChem CID:	126596235
Reduced:	SN3H31C42 (1)
Stoich.:	AB3C31D42 (1)
Weight, g/mol:	283.3239
ΔH_f, kcal/mol:	203.99
Dipole, Da:	4.57
IP(EA), eV:	-8.1(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-N-(3,3-dimethylbutyl)-2-methyloctan-1-amine

Drug info:

PubChemData

Smile

CC1(C2=C(CCC=C2)C3=C1C=CC4=C3SC5=C4C=C(C=C5)C6=C(C=CC=C6N7C8=CC=CC=C8C9C7(C=CC(=C9)C#N)C)C#N)C

DOS

IR

Vibrations