Geometry & MOs

Info

ID:	315793
PubChem CID:	126628794
Reduced:	O2C9H14 (1)
Stoich.:	A2B9C14 (1)
Weight, g/mol:	577.32642
ΔH_f, kcal/mol:	-73.61
Dipole, Da:	4.88
IP(EA), eV:	-10.06(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[2-[[(E)-2-(cyclopropylmethyl)-4-(2-ethylquinolin-7-yl)but-3-enoyl]amino]-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxylic acid

Drug info:

PubChemData

Smile

C/C=C/C(CC1CC1)C(=O)O

DOS

IR

Vibrations