Geometry & MOs

Info

ID:	171982
PubChem CID:	75449808
Reduced:	O2N5C18H27 (1)
Stoich.:	A2B5C18D27 (1)
Weight, g/mol:	445.162915
ΔH_f, kcal/mol:	-68.45
Dipole, Da:	3.17
IP(EA), eV:	-8.04(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-chloropyridin-2-yl)oxy-2-methylbutan-2-yl]-3-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]urea

Drug info:

PubChemData

Smile

CC(C)CN1C=CC2=C1C=CC(=C2)NC(=O)NCCNC(=O)N(C)C

DOS

IR

Vibrations