Geometry & MOs

Info

ID:	351490
PubChem CID:	127280378
Reduced:	ClO2N5C18H26 (1)
Stoich.:	AB2C5D18E26 (1)
Weight, g/mol:	387.22704
ΔH_f, kcal/mol:	-63.52
Dipole, Da:	2.56
IP(EA), eV:	-9.28(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-morpholin-4-ylpyridine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CC(C)C1=NC=C(C(=N1)C(=O)N2CCN(CC2)C(=O)CN3CCCC3)Cl

DOS

IR

Vibrations