Geometry & MOs

Info

ID:	291892
PubChem CID:	113585181
Reduced:	ClN3O3C11H16 (1)
Stoich.:	AB3C3D11E16 (1)
Weight, g/mol:	255.231063
ΔH_f, kcal/mol:	-110.05
Dipole, Da:	6.81
IP(EA), eV:	-9.21(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3S)-3-methylpiperazin-1-yl]methyl]-4-(2-methylpropyl)morpholine

Drug info:

PubChemData

Smile

CC1(CCOC1)NC2=C(C(=O)N(N=C2)CCO)Cl

DOS

IR

Vibrations