Geometry & MOs

Info

ID:	59740
PubChem CID:	24895282
Reduced:	N3O7H29C31 (1)
Stoich.:	A3B7C29D31 (1)
Weight, g/mol:	322.142976
ΔH_f, kcal/mol:	-199.55
Dipole, Da:	7.57
IP(EA), eV:	-8.69(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,2S)-2-(9-benzylpurin-6-yl)cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H]2[C@H]3C[C@H]4[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]4(C(=O)C3=C(C5=C2C=C6C=CC=NC6=C5O)O)O)N(C)C

DOS

IR

Vibrations