Geometry & MOs

Info

ID:	187054
PubChem CID:	77526478
Reduced:	OCl2F2N3C29H31 (1)
Stoich.:	AB2C2D3E29F31 (1)
Weight, g/mol:	424.202989
ΔH_f, kcal/mol:	-96.76
Dipole, Da:	3.96
IP(EA), eV:	-9.34(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CCNC(=O)C(C1CN(C1)C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C4=CC(=CC(=C4)F)F)N

DOS

IR

Vibrations