Geometry & MOs

Info

ID:	75752
PubChem CID:	48423936
Reduced:	O2N3C20H31 (1)
Stoich.:	A2B3C20D31 (1)
Weight, g/mol:	323.220892
ΔH_f, kcal/mol:	-58.16
Dipole, Da:	3.16
IP(EA), eV:	-8.32(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=C(C=C1)CN2CCN(CC2)C)OCC3CC3

DOS

IR

Vibrations