Geometry & MOs

Info

ID:	255211
PubChem CID:	103130679
Reduced:	N2O2C11H18 (1)
Stoich.:	A2B2C11D18 (1)
Weight, g/mol:	238.179361
ΔH_f, kcal/mol:	-66.79
Dipole, Da:	5.36
IP(EA), eV:	-9.43(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,4-dimethyl-1,4-diazepan-2-yl)-(1-methylpyrazol-3-yl)methanol

Drug info:

PubChemData

Smile

CC1(CCCCO1)C(C2=NN(C=C2)C)O

DOS

IR

Vibrations