Geometry & MOs

Info

ID:	394373
PubChem CID:	135022881
Reduced:	N4H14C17 (1)
Stoich.:	A4B14C17 (1)
Weight, g/mol:	382.05684
ΔH_f, kcal/mol:	112.91
Dipole, Da:	4.72
IP(EA), eV:	-9.03(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[2-(3-bromopropyl)anthracen-1-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CN2C=C(N=C2C=C1)C3=CC=CC=C3N4C=CN=C4

DOS

IR

Vibrations