Geometry & MOs

Info

ID:	43398
PubChem CID:	10321232
Reduced:	N2O7C23H28 (1)
Stoich.:	A2B7C23D28 (1)
Weight, g/mol:	444.200885
ΔH_f, kcal/mol:	-212.05
Dipole, Da:	7.5
IP(EA), eV:	-9.69(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[3-[2-cyano-4-(2-methoxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-(4-hydroxyphenyl)urea

Drug info:

PubChemData

Smile

CCOC(=O)C(CC1=C(C=CC(=C1)[N+](=O)[O-])OCC2=CC=CC=C2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations