Geometry & MOs

Info

ID:	188042
PubChem CID:	77659171
Reduced:	O2N3C21H29 (2)
Stoich.:	A2B3C21D29 (2)
Weight, g/mol:	336.190989
ΔH_f, kcal/mol:	-193.44
Dipole, Da:	1.46
IP(EA), eV:	-7.91(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[6-(4-oxo-4aH-imidazo[4,5-d]triazin-7-yl)hexyl]carbamate

Drug info:

PubChemData

Smile

CC1(CCNC2=C1C=CC(=C2)NC(=O)C3CNC4CCCCC4C3=O)C.CC1(CCNC2=C1C=CC(=C2)NC(=O)C3CNC4CCCCC4C3=O)C

DOS

IR

Vibrations