Geometry & MOs

Info

ID:	330513
PubChem CID:	127247920
Reduced:	O2N5C18H25 (1)
Stoich.:	A2B5C18D25 (1)
Weight, g/mol:	344.196074
ΔH_f, kcal/mol:	-44.6
Dipole, Da:	6.34
IP(EA), eV:	-8.6(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-N,4-dimethyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N2C=CC=CC2=N1)CC(=O)N3CCN(CC(C3)C(=O)NC)C

DOS

IR

Vibrations