Geometry & MOs

Info

ID:	363475
PubChem CID:	127311278
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	387.263425
ΔH_f, kcal/mol:	-34.36
Dipole, Da:	6.99
IP(EA), eV:	-9.11(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]cyclohexyl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3CCC(=O)N(C3C4=CC=CC=C4)C

DOS

IR

Vibrations