Geometry & MOs

Info

ID:	225654
PubChem CID:	87225253
Reduced:	N7O8C30H31 (1)
Stoich.:	A7B8C30D31 (1)
Weight, g/mol:	310.142976
ΔH_f, kcal/mol:	-251.72
Dipole, Da:	10.21
IP(EA), eV:	-8.71(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(2Z)-2-(5-cyclopropyl-1,2-oxazol-3-ylidene)imidazol-4-yl]pyridin-2-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC(C)(C1=C/C(=C\2/NC3=C(N2)C=C(C=C3)C(=N)N)/C(=O)C(=C1)C4=C(C=CC(=C4)CNC(=O)N)O)C(=O)NC(CC(=O)O)C(=O)O

DOS

IR

Vibrations