Geometry & MOs

Info

ID:	352349
PubChem CID:	127283433
Reduced:	O2N5C16H23 (1)
Stoich.:	A2B5C16D23 (1)
Weight, g/mol:	362.231791
ΔH_f, kcal/mol:	-23.46
Dipole, Da:	2.46
IP(EA), eV:	-8.94(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazine-1-carbonyl]pyrrolidin-1-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC(=O)N2CCN(CC2)CC3=NC(=C(O3)C)C

DOS

IR

Vibrations