Geometry & MOs

Info

ID:	168404
PubChem CID:	74962846
Reduced:	N5O7C29H46 (2)
Stoich.:	A5B7C29D46 (2)
Weight, g/mol:	177.078979
ΔH_f, kcal/mol:	-653.07
Dipole, Da:	8.43
IP(EA), eV:	-9.24(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenol

Drug info:

Smile

CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC(=O)O)C(=O)NC(C(C)C)C(=O)NCCNC(=O)CCN3C(=O)C=CC3=O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C

DOS

IR

Vibrations