Geometry & MOs

Info

ID:	174806
PubChem CID:	75817548
Reduced:	O2N5C21H31 (1)
Stoich.:	A2B5C21D31 (1)
Weight, g/mol:	383.232125
ΔH_f, kcal/mol:	18.01
Dipole, Da:	16.36
IP(EA), eV:	-4.82(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-methoxyphenyl)ethyl]-3-[[2-(4-methylpiperazin-1-yl)pyridin-4-yl]methyl]urea

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1OC)NC(=O)NCC2=CC(=[NH+]C=C2)N3CC[NH+](CC3)C

DOS

IR

Vibrations