Geometry & MOs

Info

ID:	342355
PubChem CID:	127265178
Reduced:	NO3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	285.136493
ΔH_f, kcal/mol:	-135.87
Dipole, Da:	6.66
IP(EA), eV:	-9.91(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyclopropylbut-2-enoyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)O)NC(=O)C=C(C)C1CC1

DOS

IR

Vibrations