Geometry & MOs

Info

ID:	235421
PubChem CID:	92708747
Reduced:	N3O3C25H29 (1)
Stoich.:	A3B3C25D29 (1)
Weight, g/mol:	400.226312
ΔH_f, kcal/mol:	-81.37
Dipole, Da:	4.36
IP(EA), eV:	-8.7(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C[C@H](C1=CC=CC=C1)NC(=O)NCC2=CC=CN2CC3=CC=CC=C3C

DOS

IR

Vibrations