Geometry & MOs

Info

ID:	178911
PubChem CID:	76400547
Reduced:	O2N5C18H23 (1)
Stoich.:	A2B5C18D23 (1)
Weight, g/mol:	313.153875
ΔH_f, kcal/mol:	-39.14
Dipole, Da:	3.31
IP(EA), eV:	-9.01(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1H-imidazol-2-ylmethyl)-4-(pyridin-2-ylmethyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one

Drug info:

PubChemData

Smile

CC1CC(=O)NC(N1)CCNC(=O)C2=CC(=NN2)C3=CC=C(C=C3)C

DOS

IR

Vibrations