Geometry & MOs

Info

ID:	187050
PubChem CID:	77526299
Reduced:	ON8C21H32 (1)
Stoich.:	AB8C21D32 (1)
Weight, g/mol:	464.234289
ΔH_f, kcal/mol:	-10.92
Dipole, Da:	4.2
IP(EA), eV:	-8.68(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-7-[3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-(2-phenylethenyl)-1,3-benzoxazole-4-carbonitrile;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(N=C2NC3CCCCC3N=C(N)N)C(=O)NC(C)(C)CN

DOS

IR

Vibrations