Geometry & MOs

Info

ID:	145345
PubChem CID:	53504883
Reduced:	O3N4C15H20 (1)
Stoich.:	A3B4C15D20 (1)
Weight, g/mol:	347.184506
ΔH_f, kcal/mol:	-70.67
Dipole, Da:	4.27
IP(EA), eV:	-9.34(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1,5-dimethylpyrrol-2-yl)methyl]urea

Drug info:

PubChemData

Smile

C1CC(C2=C(C1)N(N=C2)CCO)NC(=O)NCC3=COC=C3

DOS

IR

Vibrations