Geometry & MOs

Info

ID:	440038
PubChem CID:	135229923
Reduced:	ClOF2N7C28H30 (1)
Stoich.:	ABC2D7E28F30 (1)
Weight, g/mol:	349.215413
ΔH_f, kcal/mol:	-36.61
Dipole, Da:	6.82
IP(EA), eV:	-8.36(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[(Z)-[(6E)-6-butan-2-ylidenecyclohexa-2,4-dien-1-ylidene]amino]-2-methylprop-1-enyl]amino]-N-methylbenzamide

Drug info:

PubChemData

Smile

C1CN(CCC1N2CCNC2)C(=O)C3=CC=C(C=C3)C4=CN=C5C(=N4)N(CCN5)CC6=C(C=CC(=C6Cl)F)F

DOS

IR

Vibrations