Geometry & MOs

Info

ID:	74515
PubChem CID:	48421984
Reduced:	O3N4C21H32 (1)
Stoich.:	A3B4C21D32 (1)
Weight, g/mol:	309.241627
ΔH_f, kcal/mol:	-116.09
Dipole, Da:	4.25
IP(EA), eV:	-8.8(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCN(CC2)CCN3CCCC3

DOS

IR

Vibrations