Geometry & MOs

Info

ID:	236996
PubChem CID:	92716673
Reduced:	NO4C24H31 (1)
Stoich.:	AB4C24D31 (1)
Weight, g/mol:	205.146664
ΔH_f, kcal/mol:	-171.31
Dipole, Da:	5.21
IP(EA), eV:	-8.99(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-butyl-7-methyl-3,4-dihydro-2H-1,4-benzoxazine

Drug info:

PubChemData

Smile

CC[C@]1(CC(=O)C2=C(O1)C=CC3=C2C(=C(O3)C(=O)N[C@@H]4CCC[C@H]([C@@H]4C)C)C)C

DOS

IR

Vibrations