Geometry & MOs

Info

ID:	180617
PubChem CID:	76661281
Reduced:	O7N8C42H54 (1)
Stoich.:	A7B8C42D54 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	-247.64
Dipole, Da:	3.78
IP(EA), eV:	-8.52(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[4-(hydroxyiminomethyl)phenyl]azetidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)N1CCCC1C2=NC=C(N2)C3=CC=C(C=C3)OC4=CC=CC(=C4)C5=CN=C(N5)C6CCCN6C(=O)C(C(C)(C)C)NC(=O)OC)NC(=O)OC

DOS

IR

Vibrations