Geometry & MOs

Info

ID:	381592
PubChem CID:	134972375
Reduced:	ON3C28H37 (1)
Stoich.:	AB3C28D37 (1)
Weight, g/mol:	202.09938
ΔH_f, kcal/mol:	-6.44
Dipole, Da:	3.22
IP(EA), eV:	-8.86(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-benzylpent-4-ynoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1CC#N)C)CN(CC2=C(C=C(C(=C2C)CC#N)C)C)C(C)(C)CO)C

DOS

IR

Vibrations