Geometry & MOs

Info

ID:	306094
PubChem CID:	125001633
Reduced:	O3N6C22H26 (1)
Stoich.:	A3B6C22D26 (1)
Weight, g/mol:	422.206639
ΔH_f, kcal/mol:	-68.93
Dipole, Da:	10.16
IP(EA), eV:	-8.72(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(6R)-2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-1'-yl]methyl]-5-methyl-1H-indole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=C2CN3CCC[C@@]4(CC3)CC5=C(N=C(N=C5O4)N)N)C(=O)O

DOS

IR

Vibrations