Geometry & MOs

Info

ID:	352892
PubChem CID:	127283982
Reduced:	O2N6C21H26 (1)
Stoich.:	A2B6C21D26 (1)
Weight, g/mol:	397.236542
ΔH_f, kcal/mol:	12.02
Dipole, Da:	4.56
IP(EA), eV:	-8.7(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)N3CCN(CC3)CC4=NC(=C(O4)C)C)C

DOS

IR

Vibrations