Geometry & MOs

Info

ID:	443365
PubChem CID:	135258731
Reduced:	ClS2O3N7C26H28 (1)
Stoich.:	AB2C3D7E26F28 (1)
Weight, g/mol:	434.210661
ΔH_f, kcal/mol:	-40.25
Dipole, Da:	7.34
IP(EA), eV:	-8.7(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCN1C)C(=O)[C@H]2CCC3=C(C2)SC4=NC=NC(=C34)NC5=CC(=C6C(=O)NC7(N6C5=O)CSC7)Cl

DOS

IR

Vibrations