Geometry & MOs

Info

ID:	356563
PubChem CID:	127291789
Reduced:	O2N6C21H28 (1)
Stoich.:	A2B6C21D28 (1)
Weight, g/mol:	369.205242
ΔH_f, kcal/mol:	-5.47
Dipole, Da:	2.42
IP(EA), eV:	-9.18(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)C3=CN=C4C(=C3)C=NN4CC(C)C)C

DOS

IR

Vibrations