Geometry & MOs

Info

ID:	58646
PubChem CID:	24712391
Reduced:	ClN2O3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	316.142307
ΔH_f, kcal/mol:	-58.7
Dipole, Da:	3.68
IP(EA), eV:	-9.43(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[cyclopropylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1CN(CC2=CC(=CC=C2)Cl)CC3=NC(=CO3)C(=O)O

DOS

IR

Vibrations