Geometry & MOs

Info

ID:	203943
PubChem CID:	79892841
Reduced:	ON3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	247.168462
ΔH_f, kcal/mol:	-12.19
Dipole, Da:	1.99
IP(EA), eV:	-8.02(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1,3-benzoxazole-2,4-diamine

Drug info:

PubChemData

Smile

CC1CCCCC1N(C)C2=NC3=C(C=CC=C3O2)N

DOS

IR

Vibrations