Geometry & MOs

Info

ID:	75454
PubChem CID:	48423495
Reduced:	N3O3C23H35 (1)
Stoich.:	A3B3C23D35 (1)
Weight, g/mol:	322.262028
ΔH_f, kcal/mol:	-135.02
Dipole, Da:	3.51
IP(EA), eV:	-8.64(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(azepan-1-ylmethyl)piperidin-1-yl]-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCC(CC2)CN3CCCCCC3

DOS

IR

Vibrations