Geometry & MOs

Info

ID:	152116
PubChem CID:	56310976
Reduced:	NOC11H14 (2)
Stoich.:	ABC11D14 (2)
Weight, g/mol:	362.220557
ΔH_f, kcal/mol:	-30.05
Dipole, Da:	4.2
IP(EA), eV:	-8.45(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[2-(pentan-3-ylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)CN(CC2CC2)C(C)C3=CC=CC=C3

DOS

IR

Vibrations