Geometry & MOs

Info

ID:	352352
PubChem CID:	127283436
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-14.33
Dipole, Da:	2.36
IP(EA), eV:	-8.37(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazine-1-carbonyl]phenyl]-N-methylcyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)CN3C=CC4=CC=CC=C43)C

DOS

IR

Vibrations