Geometry & MOs

Info

ID:	306198
PubChem CID:	125002559
Reduced:	O2N5C20H21 (1)
Stoich.:	A2B5C20D21 (1)
Weight, g/mol:	371.159354
ΔH_f, kcal/mol:	32.55
Dipole, Da:	4.23
IP(EA), eV:	-9.43(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(6S)-2',4'-diaminospiro[1,4-oxazepane-6,6'-5H-furo[2,3-d]pyrimidine]-4-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)C(=O)N2CCC[C@@H]2C3=NC(=CN=C3)C4=C(ON=C4C)C

DOS

IR

Vibrations