Geometry & MOs

Info

ID:	190948
PubChem CID:	78083176
Reduced:	N4O4C21H30 (1)
Stoich.:	A4B4C21D30 (1)
Weight, g/mol:	315.267448
ΔH_f, kcal/mol:	-112.77
Dipole, Da:	2.91
IP(EA), eV:	-9.34(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-1-[1-(4-methylphenyl)piperidin-4-yl]azepan-3-amine

Drug info:

PubChemData

Smile

CCC1=NN=C(O1)CN(CC)C(=O)C2C3C=CC4(C2C(=O)N(C4)CC(C)(C)C)O3

DOS

IR

Vibrations