Geometry & MOs

Info

ID:	191929
PubChem CID:	78203460
Reduced:	O2N4C13H20 (1)
Stoich.:	A2B4C13D20 (1)
Weight, g/mol:	300.158626
ΔH_f, kcal/mol:	-58.88
Dipole, Da:	7.81
IP(EA), eV:	-8.66(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-4-(4-hydroxyphenyl)-3-propyl-1,2,3,3a,4,7a-hexahydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

CC1CC(NN2C1C3C(=C2)C(=O)N(C(=O)N3C)C)C

DOS

IR

Vibrations