Geometry & MOs

Info

ID:	349985
PubChem CID:	127276857
Reduced:	O2N3C15H27 (1)
Stoich.:	A2B3C15D27 (1)
Weight, g/mol:	397.193632
ΔH_f, kcal/mol:	-107.67
Dipole, Da:	8.08
IP(EA), eV:	-9.04(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)N1CCCN(CC1)C(=O)C2CCCN2C(=O)C

DOS

IR

Vibrations