Geometry & MOs

Info

ID:	126888
PubChem CID:	50983153
Reduced:	N5C20H23 (1)
Stoich.:	A5B20C23 (1)
Weight, g/mol:	368.23246
ΔH_f, kcal/mol:	86.89
Dipole, Da:	3.52
IP(EA), eV:	-8.63(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(2-propan-2-ylpyrimidin-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CN=CC=C2)NC(CN(C)C)C3=CC=CC=C3

DOS

IR

Vibrations