Geometry & MOs

Info

ID:	345691
PubChem CID:	127269991
Reduced:	O2N3C22H33 (1)
Stoich.:	A2B3C22D33 (1)
Weight, g/mol:	247.168462
ΔH_f, kcal/mol:	-103.31
Dipole, Da:	4.96
IP(EA), eV:	-8.55(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cycloheptyl(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCCCCC2)NC(=O)CN3CCCCC3

DOS

IR

Vibrations