Geometry & MOs

Info

ID:	364593
PubChem CID:	127315845
Reduced:	SN3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	250.215747
ΔH_f, kcal/mol:	22.29
Dipole, Da:	3.8
IP(EA), eV:	-8.54(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dimethyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,4-diazepane

Drug info:

PubChemData

Smile

CC1CCN(CCN1CC2=CN=C(S2)C)C

DOS

IR

Vibrations