Geometry & MOs

Info

ID:	126794
PubChem CID:	50979344
Reduced:	ClON4C19H21 (1)
Stoich.:	ABC4D19E21 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	42.05
Dipole, Da:	5.75
IP(EA), eV:	-8.75(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN(C)CC3=CN=C(C=C3)Cl

DOS

IR

Vibrations