Geometry & MOs

Info

ID:	378851
PubChem CID:	134224952
Reduced:	N3C22H37 (1)
Stoich.:	A3B22C37 (1)
Weight, g/mol:	359.136887
ΔH_f, kcal/mol:	-2.99
Dipole, Da:	1.26
IP(EA), eV:	-9.41(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] hydrogen carbonate

Drug info:

PubChemData

Smile

CCC(CC)(C/C=C(\C=C/C(C)(C)C)/C1=NC(=NC(=N1)C)C)C(C)C

DOS

IR

Vibrations