Geometry & MOs

Info

ID:	418740
PubChem CID:	135106673
Reduced:	N4O5C16H20 (1)
Stoich.:	A4B5C16D20 (1)
Weight, g/mol:	361.21139
ΔH_f, kcal/mol:	-163.99
Dipole, Da:	5.01
IP(EA), eV:	-9.66(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-4-oxo-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)C(=O)CN3C=C(C(=O)NC3=O)C

DOS

IR

Vibrations