Geometry & MOs

Info

ID:	180058
PubChem CID:	76570568
Reduced:	ClO2N6C26H29 (1)
Stoich.:	AB2C6D26E29 (1)
Weight, g/mol:	453.229538
ΔH_f, kcal/mol:	17.54
Dipole, Da:	5.32
IP(EA), eV:	-8.99(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(6-chloropyridin-3-yl)pentan-3-yl]-7,7-dimethyl-5-phenyl-2,3,5,6-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CC(N=C2N1NCC2C(=O)NC(C)(C)C3=NN=C(O3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5)C

DOS

IR

Vibrations