Geometry & MOs

Info

ID:	191763
PubChem CID:	78185556
Reduced:	N5O8C35H51 (1)
Stoich.:	A5B8C35D51 (1)
Weight, g/mol:	336.157288
ΔH_f, kcal/mol:	-361.36
Dipole, Da:	3.49
IP(EA), eV:	-9.27(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(5-methoxy-10-methyl-1,2,4-trioxaspiro[5.5]undecan-3-yl)benzoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(C(C)C)C(=O)OC)NC(=O)C(C)NCC(C(CC1=CC=CC=C1)NC(=O)C(C)NC(=O)OCC2=CC=CC=C2)O

DOS

IR

Vibrations