Geometry & MOs

Info

ID:	364379
PubChem CID:	127315556
Reduced:	O2N5C18H23 (1)
Stoich.:	A2B5C18D23 (1)
Weight, g/mol:	387.263425
ΔH_f, kcal/mol:	-23.06
Dipole, Da:	6.61
IP(EA), eV:	-8.99(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[6-[ethyl(propan-2-yl)amino]pyridine-3-carbonyl]pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C2CCCN2C(=O)C3=CC=CC4=C3NN=C4

DOS

IR

Vibrations