Geometry & MOs

Info

ID:	367998
PubChem CID:	127326380
Reduced:	ON5C17H29 (1)
Stoich.:	AB5C17D29 (1)
Weight, g/mol:	307.200825
ΔH_f, kcal/mol:	-33.15
Dipole, Da:	4.46
IP(EA), eV:	-8.7(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CN2CCN(CC2)C(=O)NC3CCCC3

DOS

IR

Vibrations