Geometry & MOs

Info

ID:	177278
PubChem CID:	76159113
Reduced:	FN3O4C25H32 (1)
Stoich.:	AB3C4D25E32 (1)
Weight, g/mol:	462.28422
ΔH_f, kcal/mol:	-172.26
Dipole, Da:	6.48
IP(EA), eV:	-8.73(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(8-methoxy-4,7,10-trimethyl-11-oxo-5-propanoyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl)-3-propylurea

Drug info:

PubChemData

Smile

CC1CN(C(COC2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)F)C(=O)N(CC1OC)C)C)C

DOS

IR

Vibrations