Geometry & MOs

Info

ID:	302627
PubChem CID:	124385395
Reduced:	O2N3C9H12 (2)
Stoich.:	A2B3C9D12 (2)
Weight, g/mol:	187.1361
ΔH_f, kcal/mol:	-79.16
Dipole, Da:	5.21
IP(EA), eV:	-8.98(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,8S)-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

Drug info:

PubChemData

Smile

CCCCC#CC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@H]([C@H](O3)C(=O)NCC)O)O)N

DOS

IR

Vibrations