Geometry & MOs

Info

ID:	156711
PubChem CID:	56371843
Reduced:	N2O5C23H28 (1)
Stoich.:	A2B5C23D28 (1)
Weight, g/mol:	439.247107
ΔH_f, kcal/mol:	-102.85
Dipole, Da:	4.48
IP(EA), eV:	-8.15(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]-3-oxopropyl]-3-phenylurea

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC2CCCCN2C(=O)CC3=CC=CC=C3[N+](=O)[O-])OC

DOS

IR

Vibrations