Geometry & MOs

Info

ID:	305536
PubChem CID:	124958724
Reduced:	O2N5C19H19 (1)
Stoich.:	A2B5C19D19 (1)
Weight, g/mol:	346.236876
ΔH_f, kcal/mol:	34.21
Dipole, Da:	9.47
IP(EA), eV:	-8.79(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S)-4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CN=C2N1C[C@H](N(C2)C(=O)C3=NN=CC=C3)C4=CC=CC=C4OC

DOS

IR

Vibrations