Geometry & MOs

Info

ID:	368074
PubChem CID:	127327175
Reduced:	O2N3C19H25 (1)
Stoich.:	A2B3C19D25 (1)
Weight, g/mol:	393.299142
ΔH_f, kcal/mol:	-14.34
Dipole, Da:	4.48
IP(EA), eV:	-9.5(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butylazepan-1-yl)-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)C1CCCN(CC1)C(=O)C2=NOC(=C2)C3=CC=NC=C3

DOS

IR

Vibrations