Geometry & MOs

Info

ID:	328150
PubChem CID:	126692278
Reduced:	O2N4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	402.278347
ΔH_f, kcal/mol:	20.67
Dipole, Da:	2.19
IP(EA), eV:	-8.54(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-cyclobutyl-1-(1,2-dihydropyridin-6-yl)ethyl]-5-(3,5-dimethyl-2H-pyrrol-4-yl)-2-N-ethenyl-1-N-methylbenzene-1,2-diamine

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC(=C3C(=C2)NC(N3)O)C4=C(N=CC=C4)C5CCC5

DOS

IR

Vibrations