Geometry & MOs

Info

ID:	352376
PubChem CID:	127283463
Reduced:	O2N5C22H27 (1)
Stoich.:	A2B5C22D27 (1)
Weight, g/mol:	392.221226
ΔH_f, kcal/mol:	-4.29
Dipole, Da:	3.93
IP(EA), eV:	-8.89(-0.62)
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]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=NC(=C(O4)C)C)C

DOS

IR

Vibrations