Geometry & MOs

Info

ID:	420891
PubChem CID:	135114995
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	302.126657
ΔH_f, kcal/mol:	-47.86
Dipole, Da:	5.56
IP(EA), eV:	-8.36(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-methyloxolan-2-yl)methylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)NC(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)C

DOS

IR

Vibrations