Geometry & MOs

Info

ID:	397776
PubChem CID:	135030718
Reduced:	BrNH14C17 (1)
Stoich.:	ABC14D17 (1)
Weight, g/mol:	308.17763
ΔH_f, kcal/mol:	61.98
Dipole, Da:	2.74
IP(EA), eV:	-9.08(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methyl-6,6-diphenylhex-5-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=NC=C(C3=CC=CC=C32)Br

DOS

IR

Vibrations