Geometry & MOs

Info

ID:	344252
PubChem CID:	127267428
Reduced:	O3N5C16H25 (1)
Stoich.:	A3B5C16D25 (1)
Weight, g/mol:	287.152144
ΔH_f, kcal/mol:	-89.65
Dipole, Da:	1.48
IP(EA), eV:	-9.47(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-prop-2-enoyl-3,4-dihydro-1H-isoquinoline-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)N2C=C(N=N2)CNC(=O)C=C

DOS

IR

Vibrations