Geometry & MOs

Info

ID:	310139
PubChem CID:	126575110
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	343.251129
ΔH_f, kcal/mol:	-86.53
Dipole, Da:	1.21
IP(EA), eV:	-8.46(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(1,3-dimethyl-2-azaspiro[4.7]dodecan-2-yl)-3-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=C(C=CC(=C2)C(=O)NNCC(C)C)C(=O)OC)C

DOS

IR

Vibrations