Geometry & MOs

Info

ID:	361523
PubChem CID:	127303713
Reduced:	ON7C15H21 (1)
Stoich.:	AB7C15D21 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	62.22
Dipole, Da:	1.75
IP(EA), eV:	-8.95(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone

Drug info:

PubChemData

Smile

CN(C1CCN(CC1)C(=O)CCN2C=CN=N2)C3=NN=CC=C3

DOS

IR

Vibrations