Geometry & MOs

Info

ID:	306436
PubChem CID:	125011692
Reduced:	O2N5C19H21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	351.169525
ΔH_f, kcal/mol:	7.55
Dipole, Da:	4.16
IP(EA), eV:	-8.95(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6R)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepan-4-yl]-(2-methylpyrimidin-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C(=O)N2CCOC[C@H](C2)CC3=CC4=C(C=C3)NN=C4

DOS

IR

Vibrations