Geometry & MOs

Info

ID:	237962
PubChem CID:	92723159
Reduced:	O3N5C25H31 (1)
Stoich.:	A3B5C25D31 (1)
Weight, g/mol:	481.268905
ΔH_f, kcal/mol:	-84.22
Dipole, Da:	6.18
IP(EA), eV:	-9.2(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-6-N-cycloheptyl-2-N-[(2-ethoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

Drug info:

PubChemData

Smile

C[C@]1(CN2C(=CC(=N2)C(=O)N[C@H]3CCCC4=CC=CC=C34)C(=O)N1C)C(=O)NC5CCCC5

DOS

IR

Vibrations