Geometry & MOs

Info

ID:	356578
PubChem CID:	127291804
Reduced:	N3O3C17H27 (1)
Stoich.:	A3B3C17D27 (1)
Weight, g/mol:	383.220892
ΔH_f, kcal/mol:	-118.93
Dipole, Da:	1.71
IP(EA), eV:	-9.07(0.22)
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-(3-methoxy-4-methylphenyl)cyclopropyl]methanone

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)COC3CCCC3)C

DOS

IR

Vibrations