Geometry & MOs

Info

ID:	328944
PubChem CID:	126729458
Reduced:	OPSN6H13C19 (1)
Stoich.:	ABCD6E13F19 (1)
Weight, g/mol:	203.1674
ΔH_f, kcal/mol:	211.24
Dipole, Da:	3.96
IP(EA), eV:	-9.0(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-2-[(E)-3-methylpent-1-enyl]aniline

Drug info:

PubChemData

Smile

C1C2=NC(=CN1N=C(S2)P)C3=C(C4=CC=CC=C4O3)N5C6=CC=CC=C6N=N5

DOS

IR

Vibrations