Geometry & MOs

Info

ID:	349988
PubChem CID:	127276861
Reduced:	O3N5C18H25 (1)
Stoich.:	A3B5C18D25 (1)
Weight, g/mol:	315.20591
ΔH_f, kcal/mol:	-103.01
Dipole, Da:	5.84
IP(EA), eV:	-9.02(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)N1CCCN(CC1)C(=O)C2=CC3=C(N=C2)N(C(=O)N(C3=O)C)C

DOS

IR

Vibrations