Geometry & MOs

Info

ID:	360238
PubChem CID:	127300881
Reduced:	ON7C21H29 (1)
Stoich.:	AB7C21D29 (1)
Weight, g/mol:	352.201159
ΔH_f, kcal/mol:	55.63
Dipole, Da:	3.56
IP(EA), eV:	-8.82(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-(1H-indazol-7-yl)methanone

Drug info:

PubChemData

Smile

CC(C)CN1C2=NC=C(C=C2C=N1)C(=O)N3CCCN(CC3)CC4=CN(N=C4)C

DOS

IR

Vibrations