Geometry & MOs

Info

ID:	441163
PubChem CID:	135233376
Reduced:	OSN7C24H25 (1)
Stoich.:	ABC7D24E25 (1)
Weight, g/mol:	312.256549
ΔH_f, kcal/mol:	110.21
Dipole, Da:	4.64
IP(EA), eV:	-8.24(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-but-1-en-2-yl-5-[(E)-6-(but-1-en-2-ylamino)hex-5-en-2-yl]-3-methylidenecyclohexa-1,5-dien-1-amine

Drug info:

PubChemData

Smile

CC1COCCN1C2=CN=C3C=CC(=CC3=C2)SC(=N)N4C=C(C=CC4=N)C5=CN(N=C5)C

DOS

IR

Vibrations